fluoro 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypentanoate

C10H17FO5 — CID 174514856

IUPACfluoro 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypentanoate
SMILESCC1(C)OCC(CCC(O)CC(=O)OF)O1
InChIInChI=1S/C10H17FO5/c1-10(2)14-6-8(15-10)4-3-7(12)5-9(13)16-11/h7-8,12H,3-6H2,1-2H3
InChIKeyZFPHWIFXEWAHHW-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.10
Rot. Bonds5

About fluoro 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypentanoate

fluoro 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypentanoate (PubChem CID 174514856) has the molecular formula C10H17FO5 and a molecular weight of 236.24 g/mol. Its IUPAC name is fluoro 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypentanoate.

Molecular Properties

Compound Namefluoro 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypentanoate
PubChem CID174514856
Molecular FormulaC10H17FO5
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Namefluoro 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypentanoate
SMILESCC1(C)OCC(CCC(O)CC(=O)OF)O1
InChIInChI=1S/C10H17FO5/c1-10(2)14-6-8(15-10)4-3-7(12)5-9(13)16-11/h7-8,12H,3-6H2,1-2H3
InChIKeyZFPHWIFXEWAHHW-UHFFFAOYSA-N
XLogP1.10
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of fluoro 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypentanoate?
The IUPAC name of fluoro 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypentanoate (CID 174514856) is fluoro 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypentanoate.
What is the SMILES notation for fluoro 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypentanoate?
The canonical SMILES for fluoro 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypentanoate is CC1(C)OCC(CCC(O)CC(=O)OF)O1.
What is the InChIKey of fluoro 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypentanoate?
The InChIKey is ZFPHWIFXEWAHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO5/c1-10(2)14-6-8(15-10)4-3-7(12)5-9(13)16-11/h7-8,12H,3-6H2,1-2H3.
What are the key properties of fluoro 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypentanoate?
fluoro 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypentanoate has a molecular weight of 236.24 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypentanoate is sourced from PubChem (CID 174514856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).